1-[1,4-bis(oxidanylidene)-2,3-dihydrophthalazin-5-yl]-3-(phenylmethyl)thiourea

Systemtic Name: 1-[1,4-bis(oxidanylidene)-2,3-dihydrophthalazin-5-yl]-3-(phenylmethyl)thiourea Openeye Name: 1-benzyl-3-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)thiourea CAS Name: 1-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)-3-(phenylmethyl)thiourea IUPAC Name: 1-benzyl-3-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)thiourea Traditional Name: 1-benzyl-3-(1,4-diketo-2,3-dihydrophthalazin-5-yl)thiourea Formula: C16H14N4O2S MolecularWeight: 326.37296

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=S)NC2=CC=CC3=C2C(=O)NNC3=O

Isomeric SMILES

C1=CC=C(C=C1)CNC(=S)NC2=CC=CC3=C2C(=O)NNC3=O

InChI

InChI=1S/C16H14N4O2S/c21-14-11-7-4-8-12(13(11)15(22)20-19-14)18-16(23)17-9-10-5-2-1-3-6-10/h1-8H,9H2,(H,19,21)(H,20,22)(H2,17,18,23)